Geometry & MOs

Info

ID:	85687
PubChem CID:	49878178
Reduced:	NO3C15H16 (2)
Stoich.:	AB3C15D16 (2)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-175.75
Dipole, Da:	11.34
IP(EA), eV:	-9.09(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-(dimethylamino)phenyl]methylideneamino]ethyl]-4-methyl-2-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2C3(C1=O)/C(=C(\C4=CC(=C(C=C4)OCC=C)C)/O)/C(=O)C(=O)N3CC5CCCO5

DOS

IR

Vibrations